Details of the Drug

General Information of Drug (ID: DMIK9VO)

Drug Name
3-Phosphoglyceric Acid
Synonyms
3-phospho-D-glycerate; 3-phosphoglycerate; 3-phosphoglyceric acid; D-Glycerate 3-phosphate; 3-phospho-(R)-glycerate; CHEBI:17794; 3-phospho-D-glyceric acid; (2R)-2-hydroxy-3-(phosphonooxy)propanoic acid; 2-D-Hydroxy-3-phosphonooxy-propanoic acid; 3443-58-1; 3PG; (2R)-2-hydroxy-3-(phosphonatooxy)propanoate; 1iih; 820-11-1; bmse000007; SCHEMBL2497743; AC1L96U5; CHEMBL1160563; CTK1B7705; OSJPPGNTCRNQQC-UWTATZPHSA-N; ZINC3869934; BDBM50216218; DB04510; (2R)-2-hydroxy-3-phosphonooxypropanoic acid; C00197; Propanoic acid, 2-hydroxy-3-(ph
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 186.06
Logarithm of the Partition Coefficient (xlogp) -2.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C3H7O7P
IUPAC Name
(2R)-2-hydroxy-3-phosphonooxypropanoic acid
Canonical SMILES
C([C@H](C(=O)O)O)OP(=O)(O)O
InChI
InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKey
OSJPPGNTCRNQQC-UWTATZPHSA-N
Cross-matching ID
PubChem CID
439183
ChEBI ID
CHEBI:17794
CAS Number
820-11-1
DrugBank ID
DB04510
TTD ID
D0WQ7U

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Triosephosphate isomerase (Bact TPI) TTNS6X4 TPIS_PLAFA Inhibitor [1]
Mycobacterium Bisphosphoglycerate phosphoglycerate mutase (MycB gpmI) TTHJWVK GPMI_MYCGE Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.